CID 16682803

2781-10-4

Structural Information

Molecular Formula
C24H48O4Sn
SMILES
CCCCC(CC)C(=O)O[Sn](CCCC)(CCCC)OC(=O)C(CC)CCCC
InChI
InChI=1S/2C8H16O2.2C4H9.Sn/c2*1-3-5-6-7(4-2)8(9)10;2*1-3-4-2;/h2*7H,3-6H2,1-2H3,(H,9,10);2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKey
GPDWNEFHGANACG-UHFFFAOYSA-L
Compound name
[dibutyl(2-ethylhexanoyloxy)stannyl] 2-ethylhexanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

4915
Patents

520.25745 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.26473 233.7
[M+Na]+ 543.24667 242.5
[M-H]- 519.25017 227.7
[M+NH4]+ 538.29127 241.3
[M+K]+ 559.22061 241.7
[M+H-H2O]+ 503.25471 227.2
[M+HCOO]- 565.25565 239.9
[M+CH3COO]- 579.27130 235.9
[M+Na-2H]- 541.23212 226.5
[M]+ 520.25690 234.3
[M]- 520.25800 234.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe